3-[(4-methylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-methylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(4-methylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0615 |
| Compound Name: | 3-[(4-methylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.6 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(cc1NS(c1ccc(C)cc1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4196 |
| logD: | 0.6809 |
| logSw: | -3.7853 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.008 |
| InChI Key: | OEDNHTIUYLFQIH-UHFFFAOYSA-N |